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Materials Data on CeAl7Au3 by Materials Project

CeAu3Al7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to six equivalent Au and twelve equivalent Al atoms. All Ce–Au bond lengths are 3.29 Å. There are six shorter (3.32 Å) and six longer (3.41 Å) Ce–Al bond lengths. Au is bonded in a 9-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Au–Al bond distances ranging from 2.60–2.69 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to two equivalent Ce and three equivalent Au atoms. In the second Al site, Al is bonded in a trigonal planar geometry to three equivalent Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ce(AlAu)2 by Materials Project

Ce(AuAl)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight Au and eight Al atoms. There are four shorter (3.38 Å) and four longer (3.42 Å) Ce–Au bond lengths. There are four shorter (3.39 Å) and four longer (3.43 Å) Ce–Al bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded to four equivalent Ce and four equivalent Al atoms to form distorted AuCe4Al4 tetrahedra that share corners with twelve equivalent AlCe4Au4 tetrahedra, edges with two equivalent AlCe4Au4 tetrahedra, edges with four equivalent AuCe4Al4 tetrahedra, and faces with four equivalent AuCe4Al4 tetrahedra. All Au–Al bond lengths are 2.59 Å. In the second Au site, Au is bonded in a 5-coordinate geometry to four equivalent Ce and five Al atoms. There are one shorter (2.51 Å) and four longer (2.61 Å) Au–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Ce and four equivalent Au atoms to form distorted AlCe4Au4 tetrahedra that share corners with twelve equivalent AuCe4Al4 tetrahedra, edges with two equivalent AuCe4Al4 tetrahedra, edges with four equivalent AlCe4Au4 tetrahedra, and faces with four equivalent AlCe4Au4 tetrahedra. In the second Al site, Al is bonded in a 5-coordinate geometry to four equivalent Ce and five Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on CeAlAu by Materials Project

CeAuAl crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to six equivalent Au and six equivalent Al atoms to form a mixture of face and edge-sharing CeAl6Au6 cuboctahedra. All Ce–Au bond lengths are 3.23 Å. All Ce–Al bond lengths are 3.23 Å. Au is bonded in a 3-coordinate geometry to six equivalent Ce and three equivalent Al atoms. All Au–Al bond lengths are 2.62 Å. Al is bonded in a distorted trigonal planar geometry to six equivalent Ce and three equivalent Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on CeAlAu by Materials Project

CeAuAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Al atoms. There are a spread of Ce–Au bond distances ranging from 3.13–3.51 Å. There are a spread of Ce–Al bond distances ranging from 3.20–3.40 Å. Au is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Al atoms. There are a spread of Au–Al bond distances ranging from 2.67–2.84 Å. Al is bonded in a 4-coordinate geometry to six equivalent Ce and four equivalent Au atoms.

36 MATERIALS SCIENCE↗

Materials Data on CeAl3Au by Materials Project

CeAuAl3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to four equivalent Au and twelve Al atoms. All Ce–Au bond lengths are 3.40 Å. There are a spread of Ce–Al bond distances ranging from 3.21–3.57 Å. Au is bonded in a 5-coordinate geometry to four equivalent Ce and five Al atoms. There are one shorter (2.46 Å) and four longer (2.55 Å) Au–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted single-bond geometry to four equivalent Ce and one Au atom. In the second Al site, Al is bonded in a distorted bent 120 degrees geometry to four equivalent Ce and two equivalent Au atoms.

36 MATERIALS SCIENCE↗